SCHEMBL29698253

SCHEMBL29698253

COC(=O)c1ccc2nc[nH]c(=O)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.71
PARP1 P09874 8/20 0.56
CHEK1 O14757 1/20 0.53
PIM1 P11309 1/20 0.53
AKT1 P31749 1/20 0.53
FLT3 P36888 1/20 0.53
PIM3 Q86V86 1/20 0.53
IP6K1 Q92551 5/20 0.52
ACVR1 Q04771 1/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDPK1 O15530 1/20 0.46
CA12 O43570 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA9 Q16790 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
IP6K3 Q96PC2 3/20 0.46
IP6K2 Q9UHH9 3/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL263292 1.00 SLC2A1 (0.71) SLC2A1PARP1CHEK1PIM1AKT1
SCHEMBL31067306 0.88 PARP1 (0.56) SLC2A1PARP1CHEK1PIM1ALOX15
SCHEMBL265032 0.88 PARP1 (0.56) SLC2A1PARP1CHEK1PIM1ALOX15
SCHEMBL22990268 0.86 SLC2A1 (0.54) SLC2A1PARP1CHEK1PIM1AKT1
SCHEMBL2116665 0.85 SLC2A1 (0.66) SLC2A1PARP1CHEK1PIM1AKT1
SCHEMBL263154 0.81 SLC2A1 (0.74) SLC2A1PARP1CHEK1PIM1AKT1
SCHEMBL2118498 0.81 SLC2A1 (0.68) SLC2A1PARP1CHEK1PIM1AKT1
SCHEMBL4179088 0.80 SLC2A1 (0.72) SLC2A1PARP1CHEK1PIM1AKT1
SCHEMBL3845750 0.80 SLC2A1 (0.72) SLC2A1PARP1CHEK1PIM1AKT1
SCHEMBL30205619 0.80 SLC2A1 (0.72) SLC2A1PARP1CHEK1PIM1AKT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed